Information card for entry 2234271

Structure parameters

• Chemical name: [Disulfanediylbis(ferrocenylthiophosphinato)- κ^2^<i>O</i>,<i>O</i>]titanocene tetrahydrofuran trisolvate
• Formula: C42 H52 Fe2 O5 P2 S4 Ti
• Calculated formula: C42 H52 Fe2 O5 P2 S4 Ti
• Title of publication: [Disulfanediylbis(ferrocenylthiophosphinato)-κ^2^<i>O</i>,<i>O</i>]titanocene tetrahydrofuran trisolvate
• Authors of publication: Karakus, Mehmet; Woollins, J. Derek; Lönnecke, Peter; Hey-Hawkins, Evamarie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m428
• a: 15.9784 ± 0.0003 Å
• b: 30.6984 ± 0.0008 Å
• c: 8.7072 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4270.98 ± 0.17 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes